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高能物理研究所 [4]
兰州理工大学 [2]
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期刊论文 [14]
发表日期
2017 [14]
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Structural, electronic, and thermodynamic properties of curium dioxide: density functional theory calculations
期刊论文
Physical review b, 2017, 卷号: 96, 期号: 23, 页码: 13
作者:
Hou, Ling
;
Li, Wei-Dong
;
Wang, Fangwei
;
Eriksson, Olle
;
Wang, Bao-Tian
收藏
  |  
浏览/下载:33/0
  |  
提交时间:2019/04/23
A theoretical explanation of RbBH4's fractionally occupied ground-state phase and the reorientational motion of the [BH4](-) group
期刊论文
JOURNAL OF PHYSICS D-APPLIED PHYSICS, 2017, 卷号: 50, 页码: 12
作者:
Chen, Lei
;
Song, Qi
;
Zhou, Bo
;
Zhang, Xiaodong
;
Jiang, Zhenyi
收藏
  |  
浏览/下载:17/0
  |  
提交时间:2018/05/31
first-principles calculations
fractional occupied ground-state phase
hydrogen storage
alkaline metal borohydrides
Effect of structural phase transformations under pressure on electronic and optical properties of CuInS2
期刊论文
Current Applied Physics, 2017, 卷号: 17, 期号: 11, 页码: 1564-1569
作者:
Gao, Bo
;
Xue, Hong-Tao
;
Tang, Fu-Ling
;
Cheng, Yu-Wen
收藏
  |  
浏览/下载:15/0
  |  
提交时间:2022/02/17
Calculations
Copper compounds
Electronic properties
Energy gap
Free energy
Gibbs free energy
Growth rate
High pressure engineering
Indium compounds
Light absorption
Optical materials
Phase transitions
Structural properties
CuInS2
Electronic and optical properties
Experimental values
First-principles calculation
Plane wave calculations
Semiconductor compounds
Structural phase transformations
Structural phase transition
Effect of structural phase transformations under pressure on electronic and optical properties of CuInS2
期刊论文
CURRENT APPLIED PHYSICS, 2017, 卷号: 17, 期号: 11, 页码: 1564-1569
作者:
Gao, Bo
;
Xue, Hong-Tao
;
Tang, Fu-Ling
;
Cheng, Yu-Wen
收藏
  |  
浏览/下载:0/0
  |  
提交时间:2019/11/15
CuInS2
First-principles calculation
Pressure-induced structural phase transition
Electronic properties
Optical absorption spectra
Mechanical, electronic and thermodynamic properties of hexagonal and orthorhombic U2Mo: A first-principle calculation
期刊论文
PROGRESS IN NUCLEAR ENERGY, 2017, 卷号: 99, 期号: 无, 页码: 110-118
作者:
Chen, Ke
;
Tian, Xiaofeng
;
Yu, You
;
You, Zhenjiang
;
Ge, Liangquan
收藏
  |  
浏览/下载:20/0
  |  
提交时间:2018/06/04
U2mo
Elastic Properties
Phonon Dispersion Relations
Stress-strain Relations
Density Functional Theory
Mechanisms of methane generation from anthracite at low temperatures: Insights from quantum chemistry calculations
期刊论文
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY, 2017, 卷号: 42, 期号: 30, 页码: 18922-18929
作者:
Wang, Jin
;
Han, Yuzhen
;
Chen, Bozhen
;
Guo, Guangjun
;
Hou, Quanlin
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  |  
浏览/下载:32/0
  |  
提交时间:2017/11/24
Anthracite
Methane generation
Stress
Quantum chemistry
A theoretical study on geometry, bonding nature, and stability of several anhydrous and hydrated in(iii), gd(iii) and yb(iii) complexes in liquid scintillator solvents
期刊论文
Inorganica chimica acta, 2017, 卷号: 463, 页码: 20-28
作者:
Huang, Pin-Wen
;
Wang, Cong-Zhi
;
Chai, Zhi-Fang
;
Shi, Wei-Qun
收藏
  |  
浏览/下载:29/0
  |  
提交时间:2019/04/23
Metal-loaded liquid scintillator
Metal carboxylates
Metal diketonates
Dft
Qtaim
Aggregation and Dissociation of Aqueous Al-13 Induced by Fluoride Substitution
期刊论文
ENVIRONMENTAL SCIENCE & TECHNOLOGY, 2017, 卷号: 51, 期号: 11, 页码: 6279-6287
作者:
Xu, Xiufang
;
Wang, Xiao
;
Zhang, Gong
;
Fu, Xiaoning
;
Hu, Chengzhi
收藏
  |  
浏览/下载:11/0
  |  
提交时间:2018/07/27
绿色电化学水分解法制备臭氧: 机理研究
期刊论文
http://electrochem.xmu.edu.cn/CN/abstract/abstract10368.shtml, 2017
GregoryGibson
;
林文锋
;
Gregory Gibson
;
Wenfeng Lin
收藏
  |  
浏览/下载:53/0
  |  
提交时间:2017/05/19
ozone evolution reaction
water splitting
density functional theory
electrocatalysis
surface adsorption and reaction
lead oxide
nickel and antimony doped tin oxide
A theoretical study on geometry, bonding nature, and stability of several anhydrous and hydrated In(III), Gd(III) and Yb(III) complexes in liquid scintillator solvents
期刊论文
INORGANICA CHIMICA ACTA, 2017, 卷号: 463, 页码: 20-28
作者:
Chai ZF(柴之芳)
;
Huang PW(黄品文)
;
Wang CZ(王聪芝)
;
Shi WQ(石伟群)
;
Huang, PW
收藏
  |  
浏览/下载:13/0
  |  
提交时间:2019/08/27
Metal-loaded liquid scintillator
Metal carboxylates
Metal diketonates
DFT
QTAIM
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